6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine

C12H15ClN6S — CID 154798091

IUPAC6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine
SMILESCCSc1cc(CNc2nc(N)nc(Cl)c2N)ccn1
InChIInChI=1S/C12H15ClN6S/c1-2-20-8-5-7(3-4-16-8)6-17-11-9(14)10(13)18-12(15)19-11/h3-5H,2,6,14H2,1H3,(H3,15,17,18,19)
InChIKeyORUMXNSFOMIRCH-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.41
Rot. Bonds5

About 6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine

6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine (PubChem CID 154798091) has the molecular formula C12H15ClN6S and a molecular weight of 310.81 g/mol. Its IUPAC name is 6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine
PubChem CID154798091
Molecular FormulaC12H15ClN6S
Molecular Weight310.81 g/mol
Exact Mass310.08
IUPAC Name6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine
SMILESCCSc1cc(CNc2nc(N)nc(Cl)c2N)ccn1
InChIInChI=1S/C12H15ClN6S/c1-2-20-8-5-7(3-4-16-8)6-17-11-9(14)10(13)18-12(15)19-11/h3-5H,2,6,14H2,1H3,(H3,15,17,18,19)
InChIKeyORUMXNSFOMIRCH-UHFFFAOYSA-N
XLogP2.41
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine with MolForge

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Related Compounds

(2-ethylsulfanyl-4-pyridinyl)methanol
CID 130360877
6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82459444
6-chloro-4-N-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]pyrimidine-2,4,5-triamine
CID 143021199
4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 130234648
6-chloro-4-N-[(2-methylpyrimidin-5-yl)methyl]-2-propylsulfanylpyrimidine-4,5-diamine
CID 122671787
ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate
CID 71304250
6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine
CID 162767108
3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816673
2-tert-butyl-6-chloro-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5-diamine
CID 82459346
6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine
CID 79556339
6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459523
5-chloro-4-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80832311

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine?
The IUPAC name of 6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine (CID 154798091) is 6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine is CCSc1cc(CNc2nc(N)nc(Cl)c2N)ccn1.
What is the InChIKey of 6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine?
The InChIKey is ORUMXNSFOMIRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6S/c1-2-20-8-5-7(3-4-16-8)6-17-11-9(14)10(13)18-12(15)19-11/h3-5H,2,6,14H2,1H3,(H3,15,17,18,19).
What are the key properties of 6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine?
6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine has a molecular weight of 310.81 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(2-ethylsulfanyl-4-pyridinyl)methyl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 154798091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).